Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | LOX | P28300 | 1/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 1/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1695970 | 0.91 | HSP90AA1 (0.52) | HPGDSMN1; SMN2ALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL7899569 | 0.90 | HPGD (0.66) | HPGDSMN1; SMN2ALDH1A1PARP1CYP3A4 | |
| SCHEMBL1690513 | 0.86 | HPGD (0.62) | HPGDSMN1; SMN2ALDH1A1PARP1CYP3A4 | |
| SCHEMBL14393561 | 0.86 | HPGD (0.68) | HPGDSMN1; SMN2ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL12736229 | 0.82 | TP53 (0.58) | HPGDSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL13657383 | 0.80 | SMN1; SMN2 (0.56) | HPGDSMN1; SMN2ALDH1A1PARP1MEN1 | |
| SCHEMBL12846718 | 0.80 | HPGD (0.71) | HPGDSMN1; SMN2ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL1696130 | 0.80 | AVPR2 (0.65) | HPGDSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL7904938 | 0.80 | HSP90AA1 (0.53) | HPGDSMN1; SMN2ALDH1A1HSP90AA1HSP90AB1 | |
| SCHEMBL1696388 | 0.79 | NPC1 (0.63) | HPGDSMN1; SMN2ALDH1A1MEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-04-12 | — | — | US | disclosed |
| US-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | HPGD 1339/4885SMN1; SMN2 4322/4885ALDH1A1 4184/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.